SCHEMBL5656296

SCHEMBL5656296

Clc1cccc(N2CCN(CCCN3CCc4ccccc43)CC2)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.76
DRD1 P21728 5/20 0.76
DRD2 P14416 15/20 0.72
HTR2A P28223 4/20 0.63
DRD4 P21917 4/20 0.62
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
MCHR1 Q99705 1/20 0.56
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28739470 0.99 DRD3 (0.74) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL5655844 0.97 DRD3 (0.76) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL5656983 0.96 DRD3 (0.74) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL5657239 0.90 DRD3 (0.73) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL28739450 0.86 DRD3 (1.00) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL31256030 0.86 DRD2 (0.76) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL7642066 0.85 DRD3 (0.65) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL28739457 0.80 DRD2 (0.60) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL5654681 0.79 DRD2 (0.61) DRD3DRD1DRD2HTR2ADRD4
SCHEMBL28739451 0.79 DRD2 (0.61) DRD3DRD1DRD2HTR2ADRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074796-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-11 US claimed
US-7223765-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2007-05-29 US disclosed
US-7074796-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-11 US disclosed
US-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-06 US disclosed
EP-1464641-A1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists H. Lundbeck A/S (DK) 2004-10-06 EP disclosed
EP-1246817-B1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES LUNDBECK & CO AS H (DK) 2004-06-23 EP disclosed
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2003-02-06 US disclosed
EP-1246817-A1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049679-A1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives OPRD1, VDR, GPR4 DRD3 22/4885DRD1 56/4885DRD2 27/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 DRD3 2/4885DRD1 5/4885DRD2 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.